Y070-2753 Screening compound: 3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

Y070-2753 Screening compound: 3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
Y070-2753 Screening compound: 3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2753
3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y070-2753

Molecular Formula

C27H30N2O6 (C27 H30 N2 O6)

Compound Name

3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-23-dihydro-1-benzofuran-5-carbonyl)-1-[2-(morpholin-4-yl)ethyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C1)Oc(cc2)c1cc2C(C(C(c(cc1)ccc1OC)N(CCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C27H30N2O6/c1-17-15-20-16-19(5-8-22(20)35-17)25(30)23-24(18-3-6-21(33-2)7-4-18)29(27(32)26(23)31)10-9-28-11-13-34-14-12-28/h3-8,16-17,24,31H,9-15H2,1-2H3

InChI Key

CETJHPDEKHSOBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04194669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.818

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.10

Polar Surface Area

71.642

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

Y070-2753 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y070-2753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2753?
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What is the minimum amount of Y070-2753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2753
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y070-2753 available by request